SCHEMBL9686268

SCHEMBL9686268

CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C4C=CCC4)CC3)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
KDM4E B2RXH2 6/20 0.52
LMNA P02545 5/20 0.51
HSD17B10 Q99714 4/20 0.51
HPGD P15428 4/20 0.51
MAPT P10636 1/20 0.51
DRD3 P35462 1/20 0.49
CYP1A2 P05177 1/20 0.48
TOP2A P11388 1/20 0.48
CYP2C9 P11712 1/20 0.48
TOP2B Q02880 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
HTT P42858 2/20 0.46
BRD4 O60885 1/20 0.46
TSHR P16473 1/20 0.46
CYP2J2 P51589 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.46
HIF1A Q16665 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9685571 0.82 ALDH1A1 (0.61) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL9686875 0.82 ALDH1A1 (0.73) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL5083194 0.82 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL9686933 0.82 LMNA (0.48) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL9685705 0.80 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL9685706 0.80 ALDH1A1 (0.70) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL9045127 0.78 TOP1 (0.61) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL9685920 0.77 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL9686359 0.76 TOP1 (0.64) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL9686810 0.76 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAHSD17B10HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288519-A4 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS 1992-04-15 EP disclosed
US-4965273-A Certain 1-tertiary-butyl-naphthyridone carboxylic acid derivatives anti-bacterial agents BRISTOL-MYERS COMPANY (US) 1990-10-23 US disclosed
US-4954507-A 1-tertiary-alkyl-substituted naphthyridine carboxylic acid antibacterial agents BRISTOL-MYERS COMPANY (US) 1990-09-04 US disclosed
EP-0288519-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS Bristol-Myers Squibb Company (US) 1988-11-02 EP disclosed
EP-0266576-A2 1-Tert-alkyl-substituted naphthyridine and quinoline carboxylic acids as antibacterial agents Bristol-Myers Squibb Company (US) 1988-05-11 EP disclosed
WO-1988002627-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1988-04-21 WO disclosed